CID 3854515

2-cyano-n,n-diethylacetamide

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CCN(CC)C(=O)CC#N

InChI

InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3

InChIKey

RYSHIRFTLKZVIH-UHFFFAOYSA-N

Compound name

2-cyano-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 280
Patents: 140.09496 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.102236	129.9
[M+Na]+	163.084178	137.9
[M-H]-	139.087684	131.9
[M+NH4]+	158.128783	149.7
[M+K]+	179.058118	138.7
[M+H-H2O]+	123.092220	118.1
[M+HCOO]-	185.093161	150.8
[M+CH3COO]-	199.108811	193.3
[M+Na-2H]-	161.069626	134.6
[M]+	140.09441142	126.8
[M]-	140.09550858	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe